Compound Detail
CHEMBL4067375
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Basic Information
| ChEMBL ID | CHEMBL4067375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRZSOAZZNSUPLS-GFCCVEGCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
0.70
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 5.96 | 5.96 | 1102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) usi... | 28850227 |
| Stromelysin-1 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Esc... | 28850227 |
| Interstitial collagenase | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escher... | 28850227 |
| Matrilysin | IC50 | = | 1102.0 | nM | 5.96 | Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) usin... | 28850227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Matrilysin | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Stromelysin-1 | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Interstitial collagenase | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine